N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine

C17H19BrFN — CID 81436820

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C17H19BrFN/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyBWFJATZPROLVSX-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.06
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine

N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 81436820) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
PubChem CID81436820
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C17H19BrFN/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3
InChIKeyBWFJATZPROLVSX-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(2R)-N-[(4-bromo-3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 97357883
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
N-[(4-bromo-3-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 80997736
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
3-[(4-bromo-3-fluorophenyl)methylamino]butan-1-ol
CID 81002994
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81437435
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine (CID 81436820) is N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccc(Br)c(F)c2)c(C)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is BWFJATZPROLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11-4-6-15(12(2)8-11)13(3)20-10-14-5-7-16(18)17(19)9-14/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 336.25 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 81436820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).